4H-1-Benzopyran-4-One, 6-.β.-D-Glucopyranosyl-5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-

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Properties Simple | Detailed

Formula C22H23O10+
IUPAC Name 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 447.412 g·mol−1
Heat of Formation -1576.5 ± 16.7 kJ·mol−1
Dipole Moment 8.92 ± 1.08 D
Volume 485.94 Å 3
Surface Area 412.79 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-benzopyran-4-one, 6-beta-d-glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
InChIKey ABRULANJVVJLFI-DGHBBABESA-N
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